2XPC
 
 | | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | | Descriptor: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | | Deposit date: | 2010-08-26 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
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7KJN
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1XLB
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLL
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, ZINC ION | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XIJ
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3L8L
 | | Gramicidin D complex with sodium iodide | | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Wawrzak, Z, Duax, W.L. | | Deposit date: | 2009-12-31 | | Release date: | 2010-07-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex.
Acta Crystallogr.,Sect.D, 66, 2010
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4C5A
 | | The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE--D-ALANINE LIGASE, GLYCEROL, ... | | Authors: | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | | Deposit date: | 2013-09-10 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
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1GPD
 | | STUDIES OF ASYMMETRY IN THE THREE-DIMENSIONAL STRUCTURE OF LOBSTER D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE | | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Moras, D, Olsen, K.W, Sabesan, M.N, Buehner, M, Ford, G.C, Rossmann, M.G. | | Deposit date: | 1975-07-01 | | Release date: | 1977-02-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Studies of asymmetry in the three-dimensional structure of lobster D-glyceraldehyde-3-phosphate dehydrogenase.
J.Biol.Chem., 250, 1975
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4FU0
 | | Crystal Structure of VanG D-Ala:D-Ser Ligase from Enterococcus faecalis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase 7, SULFATE ION | | Authors: | Meziane-Cherif, D, Saul, F.A, Haouz, A, Courvalin, P. | | Deposit date: | 2012-06-28 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional characterization of VanG D-Ala:D-Ser ligase associated with vancomycin resistance in Enterococcus faecalis
J.Biol.Chem., 287, 2012
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2GMW
 | | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli. | | Descriptor: | D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | | Authors: | Zhang, K, DeLeon, G, Wright, G.D, Junop, M.S. | | Deposit date: | 2006-04-07 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
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2DAB
 | | L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE | | Descriptor: | D-AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Sugio, S, Kashima, A, Kishimoto, K, Peisach, D, Petsko, G.A, Ringe, D, Yoshimura, T, Esaki, N. | | Deposit date: | 1997-11-30 | | Release date: | 1998-06-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of L201A mutant of D-amino acid aminotransferase at 2.0 A resolution: implication of the structural role of Leu201 in transamination.
Protein Eng., 11, 1998
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2IZQ
 | | Gramicidin D complex with KI | | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z. | | Deposit date: | 2006-07-26 | | Release date: | 2007-01-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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1DAA
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1DXY
 | | STRUCTURE OF D-2-HYDROXYISOCAPROATE DEHYDROGENASE | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, D-2-HYDROXYISOCAPROATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dengler, U, Niefind, K, Kiess, M, Schomburg, D. | | Deposit date: | 1996-08-13 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
J.Mol.Biol., 267, 1997
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1ICK
 | | LEFT-HANDED Z-DNA HEXAMER DUPLEX D(CGCGCG)2 | | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE | | Authors: | Dauter, Z, Adamiak, D.A. | | Deposit date: | 2001-04-01 | | Release date: | 2001-04-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Anomalous signal of phosphorus used for phasing DNA oligomer: importance of data redundancy.
Acta Crystallogr.,Sect.D, 57, 2001
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2WI6
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI7
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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4EJ2
 | | Crystal structure of GPb in complex with DK10 | | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2012-04-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
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4EL5
 | | Crystal structure of GPb in complex with DK12 | | Descriptor: | 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2012-04-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
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3T6C
 | | Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D-gluconic acid, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-07-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
to be published
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3K9Y
 | | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5 | | Descriptor: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ... | | Authors: | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | | Deposit date: | 2009-10-16 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
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7RKE
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | | Descriptor: | 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | | Deposit date: | 2021-07-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
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3KCL
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8YRL
 | | Crystal structure of Aspergillus fumigatus Galactofuranosylransferase (AfGfsA) in complex with UDP and galactofuranose | | Descriptor: | GLYCEROL, Glycosyltransferase family 31 protein, MANGANESE (II) ION, ... | | Authors: | Okuno, A, Oka, T, Chihara, Y, Hirata, R, Kadooka, C, Teramoto, T, Hira, D, Kakuta, Y. | | Deposit date: | 2024-03-21 | | Release date: | 2024-10-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Substrate binding and catalytic mechanism of UDP-alpha-D-galactofuranose: beta-galactofuranoside beta-(1→5)-galactofuranosyltransferase GfsA.
Pnas Nexus, 3, 2024
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3KBM
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